7-(2-chloranylethanoylamino)-7-methoxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(2-chloranylethanoylamino)-7-methoxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-chloroacetyl)amino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-chloro-1-oxoethyl)amino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-chloroacetyl)amino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-chloroacetyl)amino]-8-keto-7-methoxy-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H13ClN2O5S MolecularWeight: 320.74932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)(NC(=O)CCl)OC)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)(NC(=O)CCl)OC)SC1)C(=O)O

InChI

InChI=1S/C11H13ClN2O5S/c1-5-4-20-10-11(19-2,13-6(15)3-12)9(18)14(10)7(5)8(16)17/h10H,3-4H2,1-2H3,(H,13,15)(H,16,17)